SCHEMBL680223

SCHEMBL680223

C=C(C(C)C)C(CCN)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
HTR2A P28223 2/20 0.37
CYP1A2 P05177 1/20 0.36
PYCR1 P32322 1/20 0.35
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DPP4 P27487 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL680150 0.86 HTR2A (0.43) ALOX5HTR2ACYP1A2EPHX1KMT2A
SCHEMBL680868 0.83 ALOX5 (0.46) ALOX5HTR2ACYP1A2PYCR1EPHX1
SCHEMBL681415 0.81 CHRM2 (0.43) ALOX5HTR2ACYP1A2PYCR1TAAR1
SCHEMBL681806 0.80 CYP1A2 (0.37) ALOX5CYP1A2SMN1; SMN2
SCHEMBL684430 0.79 CYP1A2 (0.46) ALOX5HTR2ACYP1A2EPHX1KMT2A
SCHEMBL680829 0.79 HTR2A (0.36) ALOX5HTR2ACYP1A2PYCR1KMT2A
SCHEMBL681418 0.77 ALDH1A1 (0.36) ALOX5CYP1A2KMT2ASMN1; SMN2
SCHEMBL681240 0.77 ALOX5 (0.41) ALOX5CYP1A2EPHX1KMT2ASMN1; SMN2
SCHEMBL12188584 0.77 ALOX5 (0.42) ALOX5HTR2ACYP1A2KMT2ASMN1; SMN2
SCHEMBL2040594 0.75 ESR1 (0.46) ALOX5CYP1A2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALOX5 1635/4885HTR2A 1733/4885CYP1A2 956/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ALOX5 2032/4885HTR2A 2758/4885CYP1A2 999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.